N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide

C17H26N4OS — CID 171335674

IUPACN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC1CCN(c2nc(C3CC3)ns2)CC1)C(=O)C1CCC1
InChIInChI=1S/C17H26N4OS/c1-20(16(22)14-3-2-4-14)11-12-7-9-21(10-8-12)17-18-15(19-23-17)13-5-6-13/h12-14H,2-11H2,1H3
InChIKeyDRACBSDPXWZBHB-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.89
Rot. Bonds5

About N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide

N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide (PubChem CID 171335674) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
PubChem CID171335674
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC1CCN(c2nc(C3CC3)ns2)CC1)C(=O)C1CCC1
InChIInChI=1S/C17H26N4OS/c1-20(16(22)14-3-2-4-14)11-12-7-9-21(10-8-12)17-18-15(19-23-17)13-5-6-13/h12-14H,2-11H2,1H3
InChIKeyDRACBSDPXWZBHB-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide (CID 171335674) is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide is CN(CC1CCN(c2nc(C3CC3)ns2)CC1)C(=O)C1CCC1.
What is the InChIKey of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The InChIKey is DRACBSDPXWZBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-20(16(22)14-3-2-4-14)11-12-7-9-21(10-8-12)17-18-15(19-23-17)13-5-6-13/h12-14H,2-11H2,1H3.
What are the key properties of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide has a molecular weight of 334.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171335674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).